sodium 4-[4-chloranyl-5-(4-methylphenyl)imidazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[4-chloranyl-5-(4-methylphenyl)imidazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-chloro-5-(p-tolyl)imidazol-1-yl]benzenesulfonate CAS Name: sodium 4-[4-chloro-5-(4-methylphenyl)-1-imidazolyl]benzenesulfonate IUPAC Name: sodium 4-[4-chloro-5-(4-methylphenyl)imidazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[4-chloro-5-(p-tolyl)imidazol-1-yl]besylate Formula: C16H12ClN2NaO3S MolecularWeight: 370.78585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C16H13ClN2O3S.Na/c1-11-2-4-12(5-3-11)15-16(17)18-10-19(15)13-6-8-14(9-7-13)23(20,21)22;/h2-10H,1H3,(H,20,21,22);/q;+1/p-1